Several scientific applications require computing and/or storage resources that go beyond the processing power of a single multi-core machine. High performance computing (HPC) clusters provide the necessary hardware and software infrastructure to efficiently run computing intensive applications. The course gives an introduction to high performance computing using the HPC cluster at Vital-IT. Both theoretical as well as practical usage aspects will be covered.

The goal of this course is to expose the participants to 3-dimensional structures of proteins. It describes the experimental methods used to solve these structures, and databases used to archive, annotate and classify protein structures. Analysis and visualisation software will be used to display, analyze, compare and interpret protein structures. Students will also be introduced to protein structure prediction by homology modeling techniques.

The second part of the course is dedicated molecular modelling, introduction to docking of small molecules (drugs, peptides) to large macromolecules and Molecular graphics.

This course is aimed at preparing the audience for the hands-on course on protein structure visualisation.